3-(2,5-diphenylpyrimidin-4-yl)-N,N-diethylpropan-1-amine | 1227172-43-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-(2,5-diphenylpyrimidin-4-yl)-N,N-diethylpropan-1-amine
• CAS: 1227172-43-1
• 化学式: C₂₃H₂₇N₃
• 分子量: 345.487
• InChiKey: JGYJRRWCFMONJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  29
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异氰酸叔丁酯 、 N,N-diethyl-5-phenylpent-4-yn-1-amine 、 苄脒盐酸盐 在 η1,η5-(5,5-dimethyldipyrrolylmethane)bis(dimethylamido)titanium(IV) 、 苯胺 作用下， 以 甲苯 、 2-甲基-2-丁醇 为溶剂， 反应 60.0h， 以38%的产率得到3-(2,5-diphenylpyrimidin-4-yl)-N,N-diethylpropan-1-amine
  参考文献：
  名称：

  Titanium catalyzed one-pot multicomponent coupling reactions for direct access to substituted pyrimidines

  摘要：

  A titanium-catalyzed 3-component coupling reaction can be used to generate tautomers of 1,3-diimines. These diimines produced in situ undergo condensation with amidines in a one-pot procedure to provide substituted pyrimiclines. Seventeen examples of pyrimidines are provided using this one-pot, 4-component procedure from simple starting materials. In some cases, catalyst architecture can be tuned to control the regioselectivity of the alkyne addition. Finally, the regioselectivity of amidine addition to unsymmetrical 1,3-diimines is discussed. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.02.066

文献信息

• Titanium catalyzed one-pot multicomponent coupling reactions for direct access to substituted pyrimidines
  作者：Supriyo Majumder、Aaron L. Odom

  DOI：10.1016/j.tet.2010.02.066

  日期：2010.4

  A titanium-catalyzed 3-component coupling reaction can be used to generate tautomers of 1,3-diimines. These diimines produced in situ undergo condensation with amidines in a one-pot procedure to provide substituted pyrimiclines. Seventeen examples of pyrimidines are provided using this one-pot, 4-component procedure from simple starting materials. In some cases, catalyst architecture can be tuned to control the regioselectivity of the alkyne addition. Finally, the regioselectivity of amidine addition to unsymmetrical 1,3-diimines is discussed. (C) 2010 Elsevier Ltd. All rights reserved.